Structure Information
Structure

Compound Identification

SMILES

CCC(C)(C)C(=O)OC1CCC2(C)C(CCC3C4CCC(C(C)CCC(=O)NCC(=O)OC(C)(C)C)C4(C)CCC23)C1

InChIKey

InChIKey=YXENRWFQVVBKDA-UHFFFAOYSA-N

Formula

C36H61NO5

Mass

587.886

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Bile acids, alcohols and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Glycinated bile acids and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Glycinated bile acid - Steroid ester - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as glycinated bile acids and derivatives. These are compounds with a structure characterized by the presence of a glycine linked to a bile acid skeleton.

External Descriptors

Not available

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